AC1LY0PE

methyl 4-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Also Known As: methyl 4-[({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-(2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-(2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-(2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylth io}acetylamino)benzoate|methyl 4-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Molecular Formula	C29H30N4O4S
Molecular Weight	530.1988 g/mol
LogP	5.7578
Topological Polar Surface Area	95.34 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	530.1988
Monoisotopic Mass	530.1988
Heavy Atoms	38
Complexity	1407.2162

Chemical Identifiers

CAS Number	613226-50-9
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=C(C=C4)C(=O)OC